N-(1-amino-2-cyclopropylpropan-2-yl)-3-propoxybenzamide

C16H24N2O2 — CID 81487028

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NC(C)(CN)C2CC2)c1
InChIInChI=1S/C16H24N2O2/c1-3-9-20-14-6-4-5-12(10-14)15(19)18-16(2,11-17)13-7-8-13/h4-6,10,13H,3,7-9,11,17H2,1-2H3,(H,18,19)
InChIKeyDCSHQJPDDDTAAC-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.33
Rot. Bonds7

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-propoxybenzamide

N-(1-amino-2-cyclopropylpropan-2-yl)-3-propoxybenzamide (PubChem CID 81487028) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-propoxybenzamide
PubChem CID81487028
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NC(C)(CN)C2CC2)c1
InChIInChI=1S/C16H24N2O2/c1-3-9-20-14-6-4-5-12(10-14)15(19)18-16(2,11-17)13-7-8-13/h4-6,10,13H,3,7-9,11,17H2,1-2H3,(H,18,19)
InChIKeyDCSHQJPDDDTAAC-UHFFFAOYSA-N
XLogP2.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3-methylphenyl)methoxy]benzamide
CID 119575218
N-(1-amino-2-cyclopropylpropan-2-yl)-3-pyridin-4-yloxybenzamide
CID 119572563
N-[3-(aminomethyl)pentan-3-yl]-3-propoxybenzamide
CID 63765536
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119575617
1-N-(1-amino-2-cyclopropylpropan-2-yl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119576009
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(phenoxymethyl)benzamide
CID 119573755
N-cyclohexyl-3-propoxybenzamide
CID 4960053
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide
CID 81485410
N-(1-amino-2-cyclopropylpropan-2-yl)-3H-benzimidazole-5-carboxamide
CID 115307724
N-(1-bromo-3-methylpentan-3-yl)-3-propoxybenzamide
CID 106169592
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119572342
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-propoxybenzamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-propoxybenzamide (CID 81487028) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-propoxybenzamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-propoxybenzamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-propoxybenzamide is CCCOc1cccc(C(=O)NC(C)(CN)C2CC2)c1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-propoxybenzamide?
The InChIKey is DCSHQJPDDDTAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-9-20-14-6-4-5-12(10-14)15(19)18-16(2,11-17)13-7-8-13/h4-6,10,13H,3,7-9,11,17H2,1-2H3,(H,18,19).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-propoxybenzamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-propoxybenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3-propoxybenzamide is sourced from PubChem (CID 81487028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).